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4BXW
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Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis
分子名称: COAGULATION FACTOR V, FACTOR XA, GLYCEROL, ...
著者Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A.
登録日2013-07-16
公開日2013-07-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis.
Blood, 122, 2013
4C79
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BU of 4c79 by Molmil
Crystal structure of the Smoothened CRD, native
分子名称: SMOOTHENED, SODIUM ION, ZINC ION
著者Nachtergaele, S, Whalen, D.M, Mydock, L.K, Zhao, Z, Malinauskas, T, Krishnan, K, Ingham, P.W, Covey, D.F, Rohatgi, R, Siebold, C.
登録日2013-09-20
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Structure and Function of the Smoothened Extracellular Domain in Vertebrate Hedgehog Signaling
Elife, 2, 2013
4C7K
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BU of 4c7k by Molmil
11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor
分子名称: 2-ethyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-4-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Goldberg, F.W, Dossetter, A.G, Scott, J.S, Robb, G.R, Boyd, S, Groombridge, S.D, Kemmitt, P.D, Sjogren, T, Morentin Gutierrez, P, de Schoolmeester, J, Swales, J.G, Turnbull, A.V, Wild, M.J.
登録日2013-09-23
公開日2014-03-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Optimization of Brain Penetrant 11Beta-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet- Induced Obese Mice.
J.Med.Chem., 57, 2014
8XIY
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BU of 8xiy by Molmil
Crystal structure of an omega-transaminase mutant I77L/Q97E/H210N/N245D from Aspergillus terreus in complex with PLP
分子名称: D-aminoacid aminotransferase-like PLP-dependent enzyme, PYRIDOXAL-5'-PHOSPHATE
著者Lu, Z.Y, Hu, D, Xu, D.Z, He, Y.C.
登録日2023-12-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Efficient bioamination with an omega-transaminase mutant from Aspergillus terreus
To Be Published
4DLE
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BU of 4dle by Molmil
Ternary Structure of the large Fragment of Taq DNA Polymerase: 4-Fluoroproline Variant
分子名称: 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA polymerase I, ...
著者Holzberger, B, Obeid, S, Welte, W, Diederichs, K, Marx, A.
登録日2012-02-06
公開日2012-11-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural insights into the potential of 4-fluoroproline to modulate biophysical properties of protein
Chem Sci, 3, 2012
8J59
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BU of 8j59 by Molmil
The structure of a novel thermophilic-like old yellow enzyme from Aspergillus flavus-AfOYE1
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Li, N, Wang, Y.
登録日2023-04-21
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The structure of a novel thermophilic-like old yellow enzyme from Aspergillus flavus-AfOYE1
To Be Published
4DF8
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BU of 4df8 by Molmil
Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with aminopentinyl-7-deaza-2-dATP
分子名称: 1,2-ETHANEDIOL, 5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, ...
著者Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A.
登録日2012-01-23
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
3OLH
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BU of 3olh by Molmil
Human 3-mercaptopyruvate sulfurtransferase
分子名称: 3-mercaptopyruvate sulfurtransferase, SODIUM ION, SULFATE ION
著者Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2010-08-26
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human 3-Mercaptopyruvate Sulfurtransferase
To be Published
4DF4
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BU of 4df4 by Molmil
Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 7-(N-(10-hydroxydecanoyl)-aminopentinyl)-7-deaza-2 -dATP
分子名称: 1,2-ETHANEDIOL, 7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
著者Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A.
登録日2012-01-23
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
4BB5
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BU of 4bb5 by Molmil
Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors
分子名称: 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C.
登録日2012-09-20
公開日2012-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
4BB6
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BU of 4bb6 by Molmil
Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors
分子名称: 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ...
著者Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C.
登録日2012-09-20
公開日2012-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Free-Wilson and Structural Approaches to Co- Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
4BAU
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BU of 4bau by Molmil
Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa, with bound MFA
分子名称: CHLORIDE ION, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ...
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2012-09-16
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of a Putative Epoxide Hydrolase T131D Mutant from Pseudomonas Aeruginosa, with Bound Mfa
To be Published
4C7J
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BU of 4c7j by Molmil
11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor
分子名称: 4-cyclopropyl-2-(2-hydroxyethyloxy)-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-1,3-thiazole-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Goldberg, F.W, Dossetter, A.G, Scott, J.S, Robb, G.R, Boyd, S, Groombridge, S.D, Kemmitt, P.D, Sjogren, T, Morentin Gutierrez, P, de Schoolmeester, J, Swales, J.G, Turnbull, A.V, Wild, M.J.
登録日2013-09-23
公開日2014-09-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Optimization of Brain Penetrant 11Beta-Hydroxysteroid Dehydrogenase Type I Inhibitors and in Vivo Testing in Diet- Induced Obese Mice.
J.Med.Chem., 57, 2014
4BNQ
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BU of 4bnq by Molmil
The structure of the Staphylococcus aureus Ham1 protein
分子名称: GLYCEROL, NON-CANONICAL PURINE NTP PYROPHOSPHATASE, PHOSPHATE ION
著者Abergel, C, Claverie, J.M.
登録日2013-05-16
公開日2013-05-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.279 Å)
主引用文献Molecular Replacement: Tricks and Treats.
Acta Crystallogr.,Sect.D, 69, 2013
4D1L
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BU of 4d1l by Molmil
Tetramerization domain of zebrafish p53 (crystal form I)
分子名称: CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C.
登録日2014-05-02
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Tracing the Evolution of the P53 Tetramerization Domain
Structure, 22, 2014
4CH2
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BU of 4ch2 by Molmil
Low-salt crystal structure of a thrombin-GpIbalpha peptide complex
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
著者Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A.
登録日2013-11-28
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Gpibalpha Interacts Exclusively with Exosite II of Thrombin
J.Mol.Biol., 426, 2014
3GSZ
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BU of 3gsz by Molmil
Structure of the genotype 2B HCV polymerase
分子名称: RNA-directed RNA polymerase
著者Rydberg, E.H, Carfi, A.
登録日2009-03-27
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for resistance of the genotype 2b hepatitis C virus NS5B polymerase to site A non-nucleoside inhibitors.
J.Mol.Biol., 390, 2009
4TZ9
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BU of 4tz9 by Molmil
Structure of Metallo-beta-lactamase
分子名称: CADMIUM ION, COBALT (II) ION, Class B metallo-beta-lactamase, ...
著者Ferguson, J.A, Brem, J, Makena, A, McDonough, A.M, Schofield, C.J.
登録日2014-07-09
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1269 Å)
主引用文献Structure of Metallo-beta-lactamase
To Be Published
4TZE
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BU of 4tze by Molmil
Structure of metallo-beta-lactamase
分子名称: Class B carbapenemase NDM-5, ZINC ION
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-10
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.574 Å)
主引用文献stucuture of metallo-beta-lactamase
To Be Published
4U1D
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BU of 4u1d by Molmil
Structure of the PCI domain of translation initiation factor eIF3a
分子名称: Eukaryotic translation initiation factor 3 subunit A
著者Erzberger, J.P, Schaefer, T, Ban, N.
登録日2014-07-15
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex.
Cell, 158, 2014
1EET
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BU of 1eet by Molmil
HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204
分子名称: 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE
著者Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K.
登録日2000-02-03
公開日2001-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues.
J.Med.Chem., 42, 1999
3GOQ
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BU of 3goq by Molmil
Crystal structure of the Tyr13Met variant of Bacillus subtilis ferrochelatase
分子名称: Ferrochelatase, MAGNESIUM ION
著者Karlberg, T, Hansson, M.D, Hansson, M, Al-Karadaghi, S.
登録日2009-03-19
公開日2010-03-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the Tyr13Met variant of Bacillus subtilis ferrochelatase
To be Published
3GQG
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BU of 3gqg by Molmil
Crystal structure at acidic pH of the ferric form of the Root effect hemoglobin from Trematomus bernacchii.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Vergara, A, Franzese, M, Merlino, A, Bonomi, G, Mazzarella, L.
登録日2009-03-24
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Correlation between hemichrome stability and the root effect in tetrameric hemoglobins.
Biophys.J., 97, 2009
6TN3
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BU of 6tn3 by Molmil
Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with GlcNAc-1P
分子名称: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, PHOSPHATE ION, UDP-N-acetylglucosamine pyrophosphorylase
著者Raimi, O.G, Guerrero, R.H.
登録日2019-12-05
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献A mechanism-inspired UDP- N -acetylglucosamine pyrophosphorylase inhibitor.
Rsc Chem Biol, 1, 2020
1WBM
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BU of 1wbm by Molmil
HIV-1 protease in complex with symmetric inhibitor, BEA450
分子名称: (2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE, POL PROTEIN (FRAGMENT)
著者Lindberg, J, Unge, T.
登録日2004-11-02
公開日2004-11-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 Protease in Complex with Symmetric Inhibitor, Bea450
To be Published

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